7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole

C21H27NO3 — CID 162748786

IUPAC7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
SMILESCC(C)c1ccc2c(c1)OCO2.CCc1ccc2c(c1)OCCN2C
InChIInChI=1S/C11H15NO.C10H12O2/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8H,3,6-7H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyRZAQLSXASVWPFM-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.62
Rot. Bonds2

About 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole

7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole (PubChem CID 162748786) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole.

Molecular Properties

Compound Name7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
PubChem CID162748786
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole
SMILESCC(C)c1ccc2c(c1)OCO2.CCc1ccc2c(c1)OCCN2C
InChIInChI=1S/C11H15NO.C10H12O2/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8H,3,6-7H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeyRZAQLSXASVWPFM-UHFFFAOYSA-N
XLogP4.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 146618626
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-ol
CID 83777474
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole?
The IUPAC name of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole (CID 162748786) is 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole.
What is the SMILES notation for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole?
The canonical SMILES for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole is CC(C)c1ccc2c(c1)OCO2.CCc1ccc2c(c1)OCCN2C.
What is the InChIKey of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole?
The InChIKey is RZAQLSXASVWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C10H12O2/c1-3-9-4-5-10-11(8-9)13-7-6-12(10)2;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-5,8H,3,6-7H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole?
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole has a molecular weight of 341.45 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-propan-2-yl-1,3-benzodioxole is sourced from PubChem (CID 162748786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).